2-Bromo-4-methyl-6-nitroaniline - CAS 827-24-7
Catalog: |
BB036891 |
Product Name: |
2-Bromo-4-methyl-6-nitroaniline |
CAS: |
827-24-7 |
Synonyms: |
2-bromo-4-methyl-6-nitroaniline; 2-bromo-4-methyl-6-nitroaniline |
IUPAC Name: | 2-bromo-4-methyl-6-nitroaniline |
Description: | 2-Bromo-4-methyl-6-nitroaniline (CAS# 827-24-7) is a useful research chemical. |
Molecular Weight: | 231.05 |
Molecular Formula: | C7H7BrN2O2 |
Canonical SMILES: | CC1=CC(=C(C(=C1)Br)N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7BrN2O2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,9H2,1H3 |
InChI Key: | VFPKZASVVCBVMG-UHFFFAOYSA-N |
Boiling Point: | 329.1 °C at 760 mmHg |
Density: | 1.698 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00209452 |
LogP: | 3.35230 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020148617-A1 | 3-substituted phenylamidine compounds, preparation and use thereof | 20190114 |
KR-20210116477-A | 3-substituted phenylamidine compounds, preparation and use thereof | 20190114 |
WO-2018130227-A1 | Aromatic ring-containing compound, preparation method therefor, pharmaceutical composition, and use | 20170116 |
EP-3484874-A1 | Monocyclic heteroaryl substituted compounds | 20160714 |
EP-3484874-B1 | Monocyclic heteroaryl substituted compounds | 20160714 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.96909 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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